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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adrb2
Synonym	beta2-adrenoceptor Beta-2 adrenoreceptor Beta-2 adrenoceptor beta-2 adrenergic receptor beta 2-AR B2AR adrenoceptor beta 2, surface adrenergic receptor ADRBR ADRB2R Adrb-2 Gpcr7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProt	P10608
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3754
IUPHAR	29
DrugBank	N/A

Ligand

Name	CHEMBL126347
Molecular formula	C9H11F2NO3
IUPAC name	3,6-difluoro-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular weight	219.188
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.1
Synonyms	AC1LBSVC Benzeneethanamine, 2,5-difluoro-.beta.,3,4-trihydroxy-N-methyl- 3,6-difluoro-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol KCSBHJHUGQEHSD-UHFFFAOYSA-N alpha-[(Methylamino)methyl]-2,5-difluoro-3,4-dihydroxybenzenemethanol 3,6-Difluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol(2,5-DiFEPI) BDBM50042999 3,6-Difluoro-4-[1-hydroxy-2-(methylamino)ethyl]-1,2-benzenediol # [ Show all ]
Inchi Key	KCSBHJHUGQEHSD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H11F2NO3/c1-12-3-6(13)4-2-5(10)8(14)9(15)7(4)11/h2,6,12-15H,3H2,1H3
PubChem CID	541614
ChEMBL	CHEMBL126347
IUPHAR	N/A
BindingDB	50042999
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	710.0 nM	PMID8254623	BindingDB,ChEMBL

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